32T
Summary
| Name: | (S)-2-AMINO-3-(4H-THIENO[3,2-B]-PYRROL-6-YL)-PROPIONIC ACID |
| Formula: | C9 H10 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 210.253 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(4H-thieno[3,2-b]pyrrol-6-yl)-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(4H-thieno[2,3-d]pyrrol-6-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc2c1sccc1nc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1c[nH]c2ccsc12)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1c[nH]c2ccsc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1csc2c1[nH]cc2C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1csc2c1[nH]cc2CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H10N2O2S/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | QWBFZWQMTNSOBK-LURJTMIESA-N |
